SCHEMBL17130508

SCHEMBL17130508

CCC(C)(C)C(=O)c1ccc(Oc2ccc(C(=O)Oc3ccc(C(C)c4ccc(OC)c(C)c4)cc3C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.42
TAS1R1 Q7RTX1 4/20 0.42
ALDH1A1 P00352 1/20 0.40
THRB P10828 2/20 0.39
TP53 P04637 2/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19458372 0.91 MAPT (0.37) TAS1R3TAS1R1ALDH1A1THRBTP53
SCHEMBL19139144 0.91 TAS1R3 (0.33) TAS1R3TAS1R1ALDH1A1THRBTP53
SCHEMBL13191290 0.91 TAS1R3 (0.33) TAS1R3TAS1R1ALDH1A1THRBTP53
SCHEMBL15499183 0.90 TAS1R3 (0.33) TAS1R3TAS1R1ALDH1A1THRBTP53
SCHEMBL16864161 0.90 TAS1R3 (0.35) TAS1R3TAS1R1ALDH1A1THRBTP53
SCHEMBL13660382 0.88 ELANE (0.33) TAS1R3TAS1R1ALDH1A1THRBTP53
SCHEMBL16361931 0.85 ALDH1A1 (0.38) ALDH1A1MAPT
SCHEMBL12376962 0.84 KMT2A (0.46) TAS1R3TAS1R1ALDH1A1THRBTP53
SCHEMBL13751684 0.84 VDR (0.35) TAS1R3TAS1R1ALDH1A1THRBTP53
SCHEMBL13063363 0.84 TAS1R3 (0.35) TAS1R3TAS1R1ALDH1A1THRBTP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150277249-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2015-10-01 US disclosed